Compound Detail
CHEMBL94231
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Basic Information
| ChEMBL ID | CHEMBL94231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSMLYTJJLFECDK-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
371.7
MW (Da)
3.82
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate dehydrogenase kinase CHEMBL2096665 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate dehydrogenase kinase | IC50 | = | 110.0 | nM | 6.96 | In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary en... | 10425084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10425084 | 10.1021/jm9902584 | Pyruvate dehydrogenase kinase | 1 |
Data from ChEMBL 36 via Core Engine